Geometry & MOs

Info

ID:	67904
PubChem CID:	46507392
Reduced:	SO2N5H15C18 (1)
Stoich.:	AB2C5D15E18 (1)
Weight, g/mol:	469.157246
ΔH_f, kcal/mol:	27.06
Dipole, Da:	3.95
IP(EA), eV:	-8.91(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]-N-[(4-propan-2-ylphenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC=C(C=C1)NC2=NN3C(=O)C4=CC=CC=C4N=C3S2

DOS

IR

Vibrations